using this Gromacs. We will fix this
installation issue in future version.
With Regards,
Rashmi
On Mon, Jun 16, 2014 at 11:41 AM, sucharita dey sucharita@gmail.com
wrote:
Hi Rashmi,
I am facing difficulty in installing the tool you mentioned g_mmpbsa. I
am
giving
)?
On Fri, Jun 13, 2014 at 8:41 PM, Justin Lemkul jalem...@vt.edu wrote:
On 6/13/14, 2:11 AM, sucharita dey wrote:
Dear Users,
I have a protein-DNA system with 3 Zinc fingers, 1 Fe++, 1 cofactor NOG
(N-OxalyGlycine) and crystal waters.
I have generated the initial topology of OGA from
of 2.0e-03 ps. Maybe you forgot to change the
constraints mdp option.*
Can you please suggest where might be the problem?
Thanks,
Sucharita
On Wed, Jun 18, 2014 at 7:54 PM, Justin Lemkul jalem...@vt.edu wrote:
On 6/18/14, 6:47 AM, sucharita dey wrote:
Thanks Justin. The OGA topology
Hi Rashmi,
I am facing difficulty in installing the tool you mentioned g_mmpbsa. I am
giving this command:
./configure --enable-gmx46 --with-gmx-include=/usr/local/gromacs/include
--with-gmx-lib=/usr/local/gromacs/lib
configure: error: Could not find /libgmx.a library file
I
Thanks Justin. I have very recently started doing MD, guided by Gromacs
tutorials; not aware of this issue. Thanks for you suggestion, I will try with
Amber ff.
Sucharita Dey,PhD, Research Fellow, Cancer Science Institute of Singapore,
National University of Singapore. 14, Medical Drive, #12
---
Sucharita Dey,PhD, Research Fellow, Cancer Science Institute of Singapore,
National University of Singapore. 14, Medical Drive, #12-01, Singapore 117599.
Tel: (65) 90355220, email: cs...@nus.edu.sg
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